Turning Uncertainty into a Design Tool for AI-engineered Molecules

Our recent work on harnessing model uncertainty to improve generative molecular design has been featured on the Brookhaven National Laboratory’s website. The full article can be accessed at: https://www.bnl.gov/newsroom/news.php?a=222882

This was a collaborative work between Texas A&M and BNL, involving Nafiz Abeer (TAMU), Sanket Jantre (BNL), and Nathan Urban (BNL).

H/T to Charity Plata (BNL CDS) for the wonderful article!